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MolNFT v1 · #159851 · protein

Crystal structure analysis of TAF1 bromodomain

6P39 · Transcription initiation factor tfiid subunit 1: “Crystal structure analysis of TAF1 bromodomain”. X-ray diffraction, 1 ligand (NQY), 1 pocket (best druggability 0.47). MolNFT v1 #159851 on GenesisL1: 3D structure, binding sites and…

PDB
6P39
Type
protein
Length
128 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transcription initiation factor tfiid subunit 1
EC
2.3.1.48, 2.7.11.1
UniProt
P21675
Ligands
NQY
Pockets
1 · best druggability 0.47

Structure

x-ray diffraction · 1 distinct chain · 71% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATranscription initiation factor tfiid subunit 1 (EC 2.3.1.48, 2.7.11.1)protein12871% helix, 0% strandP21675

Ligands and binding sites

  • NQY · 3-methoxy-4-{[(6aR)-5-methyl-6-oxo-6,6a,7,8,9,10-hexahydro-5H-dipyrido[1,2-a:3',2'-e]pyrazin-2-yl]amino}-N-(1-methylpiperidin-4-yl)benzamide · ligand · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11060.470.7918NQY

Compared structures

  • 6P39 · Crystal Structure Analysis of TAF1 Bromodomain · the same entry in another collection · chain A against A, TM-score 1.00
  • P21675 · AlphaFold monomer V2.0 prediction for transcription initiation factor tfiid subunit 1… · a predicted model of the same protein · chain A against A, TM-score 0.98

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